[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone

C16H18FN3OS — CID 136528222

IUPAC[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESCCc1cnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C16H18FN3OS/c1-2-14-11-18-16(22-14)20-9-7-19(8-10-20)15(21)12-3-5-13(17)6-4-12/h3-6,11H,2,7-10H2,1H3
InChIKeyOCENFQMRBCFTSH-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.81
Rot. Bonds3

About [4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone

[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 136528222) has the molecular formula C16H18FN3OS and a molecular weight of 319.41 g/mol. Its IUPAC name is [4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID136528222
Molecular FormulaC16H18FN3OS
Molecular Weight319.41 g/mol
Exact Mass319.12
IUPAC Name[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESCCc1cnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C16H18FN3OS/c1-2-14-11-18-16(22-14)20-9-7-19(8-10-20)15(21)12-3-5-13(17)6-4-12/h3-6,11H,2,7-10H2,1H3
InChIKeyOCENFQMRBCFTSH-UHFFFAOYSA-N
XLogP2.81
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 133333010
(4-fluorophenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
CID 108753221
[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 7539432
2-(4-aminophenyl)-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 119886766
[4-(6-ethoxypyridine-3-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 87002326
[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119886786
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 120646877
(4-fluorophenyl)-[4-(8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-yl)piperazin-1-yl]methanone
CID 30807146
(4-fluorophenyl)-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]carbamic acid
CID 143695870
[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120941808
(1-aminocyclohexyl)-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119886813
(4-bromophenyl)-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone
CID 4272588

Frequently Asked Questions

What is the IUPAC name of [4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone (CID 136528222) is [4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone is CCc1cnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)s1.
What is the InChIKey of [4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is OCENFQMRBCFTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3OS/c1-2-14-11-18-16(22-14)20-9-7-19(8-10-20)15(21)12-3-5-13(17)6-4-12/h3-6,11H,2,7-10H2,1H3.
What are the key properties of [4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone?
[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 319.41 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 136528222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).